| SpectraBase Compound ID | TfU3bYxgoI |
|---|---|
| InChI | InChI=1S/C20H18O8/c1-8-6-9-14(19(27-4)12(8)20(24)28-5)16(22)13-10(15(9)21)7-11(25-2)18(26-3)17(13)23/h6-7,23H,1-5H3 |
| InChIKey | VQCGKVMDKWCZNJ-UHFFFAOYSA-N |
| Mol Weight | 386.36 g/mol |
| Molecular Formula | C20H18O8 |
| Exact Mass | 386.100168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DqBqfI8GDmF |
|---|---|
| Name | Methyl 1,7-di -o-methylcardinalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.100167532 u |
| Formula | C20H18O8 |
| InChI | InChI=1S/C20H18O8/c1-8-6-9-14(19(27-4)12(8)20(24)28-5)16(22)13-10(15(9)21)7-11(25-2)18(26-3)17(13)23/h6-7,23H,1-5H3 |
| InChIKey | VQCGKVMDKWCZNJ-UHFFFAOYSA-N |
| Molecular Weight | 386.356 g/mol |
| SMILES | C1=2C(C3=C(C(OC)=C(C=C3C(C2C=C(C(=C1OC)C(=O)OC)C)=O)OC)O)=O |